1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one

C11H14F3N3O2 — CID 136520233

IUPAC1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one
SMILESCCn1ccnc(N2CCC(O)(C(F)(F)F)C2)c1=O
InChIInChI=1S/C11H14F3N3O2/c1-2-16-6-4-15-8(9(16)18)17-5-3-10(19,7-17)11(12,13)14/h4,6,19H,2-3,5,7H2,1H3
InChIKeyPBLHYKMXCARGKM-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.77
Rot. Bonds2

About 1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one

1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one (PubChem CID 136520233) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one
PubChem CID136520233
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one
SMILESCCn1ccnc(N2CCC(O)(C(F)(F)F)C2)c1=O
InChIInChI=1S/C11H14F3N3O2/c1-2-16-6-4-15-8(9(16)18)17-5-3-10(19,7-17)11(12,13)14/h4,6,19H,2-3,5,7H2,1H3
InChIKeyPBLHYKMXCARGKM-UHFFFAOYSA-N
XLogP0.77
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one (CID 136520233) is 1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one is CCn1ccnc(N2CCC(O)(C(F)(F)F)C2)c1=O.
What is the InChIKey of 1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one?
The InChIKey is PBLHYKMXCARGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-2-16-6-4-15-8(9(16)18)17-5-3-10(19,7-17)11(12,13)14/h4,6,19H,2-3,5,7H2,1H3.
What are the key properties of 1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one?
1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one has a molecular weight of 277.25 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 136520233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).